Sugi Predict

Sugi Predict / Compounds / SCHEMBL3531728

SCHEMBL3531728

SCHEMBL3531728

Cc1ccc(S(=O)(=O)OCCOc2ccc([N+](=O)[O-])cc2CS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP2D6 P10635 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3532024 0.85 CA12 (0.40) KMT2ARAB9AMEN1ALDH1A1L3MBTL1
SCHEMBL3528960 0.82 TSHR (0.48) CYP19A1KMT2ARAB9AALDH1A1HPGD
SCHEMBL3531724 0.81 ALDH1A1 (0.50) KMT2ARAB9AMEN1ALDH1A1HPGD
SCHEMBL7866969 0.81 ALDH1A1 (0.58) CYP19A1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL31666530 0.81 CYP19A1 (0.48) CYP19A1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL8114936 0.79 CYP19A1 (0.45) CYP19A1KMT2ARAB9AMEN1ALDH1A1
SCHEMBL3532022 0.77 CA12 (0.49) KMT2ARAB9AMEN1ALDH1A1MAPT
SCHEMBL6034041 0.75 KMT2A (0.55) KMT2ARAB9AMEN1ALDH1A1L3MBTL1
SCHEMBL30865770 0.75 CYP19A1 (0.46) CYP19A1KMT2AMEN1ALDH1A1CYP2D6
SCHEMBL29619121 0.73 ALDH1A1 (0.43) CYP19A1KMT2ARAB9AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 — — US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 — — EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 — — WO disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A CYP19A1 792/4885KMT2A 2512/4885RAB9A 3414/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.